N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-chloro-4-fluorophenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-chloro-4-fluorophenyl)-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-chloro-4-fluorophenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0921 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-chloro-4-fluorophenyl)-beta-alaninamide |
| Molecular Weight: | 439.89 |
| Molecular Formula: | C19 H19 Cl F N3 O4 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(Nc1ccc(c(c1)[Cl])F)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6053 |
| logD: | 2.545 |
| logSw: | -3.455 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.406 |
| InChI Key: | QBOOPGSSBMFMST-UHFFFAOYSA-N |